![3-Phenyl-1-azabicyclo[1.1.0]butane structure](/static/products/1794/17945-94-7.webp)
3-Phenyl-1-azabicyclo[1.1.0]butane
TL;DR: 3-Phenyl-1-azabicyclo[1.1.0]butane (CAS 17945-94-7) is a chemical compound with molecular formula C9H9N and molecular weight 131.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-1-azabicyclo[1.1.0]butane
Also Known As: 3-phenyl-1-azabicyclo[1.1.0]butane, 3-Phenyl-1-aza-bicyclo[1.1.0]butane, 1-Azabicyclo[1.1.0]butane, 3-phenyl-, 3-Benzylamino-3-methyl-buttersaeureeethylester, J1.044.331H
| Molecular Formula | C9H9N |
|---|---|
| Molecular Weight | 131.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 3.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 131.0735 |
| Heavy Atoms | 10 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 17945-94-7 |
|---|---|
| SMILES | C1C2(N1C2)C3=CC=CC=C3 |
| InChIKey | HYSAJZJNEJKIMJ-UHFFFAOYSA-N |
Product Overview
3-Phenyl-1-azabicyclo[1.1.0]butane (CAS 17945-94-7), with molecular formula C9H9N and molecular weight 131.07 g/mol. IUPAC: 3-phenyl-1-azabicyclo[1.1.0]butane.
Chemical Property Profile of 3-Phenyl-1-azabicyclo[1.1.0]butane
Property Insights of 3-Phenyl-1-azabicyclo[1.1.0]butane
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-1-azabicyclo[1.1.0]butane. With a topological polar surface area (TPSA) of 3.0 Ų, 3-Phenyl-1-azabicyclo[1.1.0]butane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-1-azabicyclo[1.1.0]butane has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Phenyl-1-azabicyclo[1.1.0]butane?
The CAS number of 3-Phenyl-1-azabicyclo[1.1.0]butane is 17945-94-7.
What is the molecular formula of 3-Phenyl-1-azabicyclo[1.1.0]butane?
The molecular formula of 3-Phenyl-1-azabicyclo[1.1.0]butane is C9H9N.
What is the molecular weight of 3-Phenyl-1-azabicyclo[1.1.0]butane?
The molecular weight of 3-Phenyl-1-azabicyclo[1.1.0]butane is 131.07 g/mol.
Where can I buy 3-Phenyl-1-azabicyclo[1.1.0]butane?
You can request a quote for 3-Phenyl-1-azabicyclo[1.1.0]butane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-1-azabicyclo[1.1.0]butane?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-1-azabicyclo[1.1.0]butane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.